CID 175392220

C12H31O2S2- — CID 175392220

IUPAC—
SMILESCC(C)C.CC(C)C.CC(C)C.O=[S-](O)=S
InChIInChI=1S/3C4H10.HO2S2/c4*1-4(2)3/h3*4H,1-3H3;(H,1,2,3)/q;;;-1
InChIKeyDXWDMDFYXPPWHL-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.87
Rot. Bonds

About CID 175392220

CID 175392220 (PubChem CID 175392220) has the molecular formula C12H31O2S2- and a molecular weight of 271.51 g/mol.

Molecular Properties

Compound NameCID 175392220
PubChem CID175392220
Molecular FormulaC12H31O2S2-
Molecular Weight271.51 g/mol
Exact Mass271.18
IUPAC Name—
SMILESCC(C)C.CC(C)C.CC(C)C.O=[S-](O)=S
InChIInChI=1S/3C4H10.HO2S2/c4*1-4(2)3/h3*4H,1-3H3;(H,1,2,3)/q;;;-1
InChIKeyDXWDMDFYXPPWHL-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175392220?
The IUPAC name of CID 175392220 (CID 175392220) is not available.
What is the SMILES notation for CID 175392220?
The canonical SMILES for CID 175392220 is CC(C)C.CC(C)C.CC(C)C.O=[S-](O)=S.
What is the InChIKey of CID 175392220?
The InChIKey is DXWDMDFYXPPWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10.HO2S2/c4*1-4(2)3/h3*4H,1-3H3;(H,1,2,3)/q;;;-1.
What are the key properties of CID 175392220?
CID 175392220 has a molecular weight of 271.51 g/mol, XLogP of 4.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175392220 is sourced from PubChem (CID 175392220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).